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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 281.2
BDBM53035

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM53035
PNG
(4-[(3-methyl-5-oxo-4-pyrazolyl)hydrazo]benzenesulf...)
Show SMILES Cc1[nH][nH]c(=O)c1N=Nc1ccc(cc1)S(N)(=O)=O |w:8.9|
Show InChI InChI=1S/C10H11N5O3S/c1-6-9(10(16)15-12-6)14-13-7-2-4-8(5-3-7)19(11,17)18/h2-5H,1H3,(H2,11,17,18)(H2,12,15,16)
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay


Bioorg Med Chem Lett 21: 4108-14 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.149
BindingDB Entry DOI: 10.7270/Q2KK9C4H
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM53035
PNG
(4-[(3-methyl-5-oxo-4-pyrazolyl)hydrazo]benzenesulf...)
Show SMILES Cc1[nH][nH]c(=O)c1N=Nc1ccc(cc1)S(N)(=O)=O |w:8.9|
Show InChI InChI=1S/C10H11N5O3S/c1-6-9(10(16)15-12-6)14-13-7-2-4-8(5-3-7)19(11,17)18/h2-5H,1H3,(H2,11,17,18)(H2,12,15,16)
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PCBioAssay
n/an/an/an/a 3.66E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
POsterior Segregation


(Caenorhabditis elegans)
BDBM53035
PNG
(4-[(3-methyl-5-oxo-4-pyrazolyl)hydrazo]benzenesulf...)
Show SMILES Cc1[nH][nH]c(=O)c1N=Nc1ccc(cc1)S(N)(=O)=O |w:8.9|
Show InChI InChI=1S/C10H11N5O3S/c1-6-9(10(16)15-12-6)14-13-7-2-4-8(5-3-7)19(11,17)18/h2-5H,1H3,(H2,11,17,18)(H2,12,15,16)
PDB

KEGG

UniProtKB/TrEMBL

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PCBioAssay
n/an/an/an/a 7.89E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM53035
PNG
(4-[(3-methyl-5-oxo-4-pyrazolyl)hydrazo]benzenesulf...)
Show SMILES Cc1[nH][nH]c(=O)c1N=Nc1ccc(cc1)S(N)(=O)=O |w:8.9|
Show InChI InChI=1S/C10H11N5O3S/c1-6-9(10(16)15-12-6)14-13-7-2-4-8(5-3-7)19(11,17)18/h2-5H,1H3,(H2,11,17,18)(H2,12,15,16)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.43E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair